7UDX

Designed pentameric proton channel QLQL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.115832
Spacegroup name	C 2 2 21
Unit cell lengths	55.720, 83.680, 147.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.510 - 2.990
R-factor	0.2353
Rwork	0.231
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mct
RMSD bond length	0.003
RMSD bond angle	0.490
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.510	3.040
High resolution limit [Å]	2.990	2.990
Rmerge	0.145
Number of reflections	7234	348
<I/σ(I)>	13.4
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	0.999	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	0.2 M ammonium sulfate, 0.1 M sodium chloride, 0.1 M sodium citrate, pH 6.0, 20% w/v PEG2000